CID 208227

Brn 0857586

Structural Information

Molecular Formula
C28H28N2O2
SMILES
C1CN(CCN1CCCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H28N2O2/c31-26-24-14-7-8-15-25(24)27(32)28(26,22-10-3-1-4-11-22)16-9-17-29-18-20-30(21-19-29)23-12-5-2-6-13-23/h1-8,10-15H,9,16-21H2
InChIKey
WXBOIFNRTNVRBT-UHFFFAOYSA-N
Compound name
2-phenyl-2-[3-(4-phenylpiperazin-1-yl)propyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.2151 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.22238 208.1
[M+Na]+ 447.20432 223.5
[M+NH4]+ 442.24892 217.5
[M+K]+ 463.17826 212.7
[M-H]- 423.20782 215.8
[M+Na-2H]- 445.18977 218.4
[M]+ 424.21455 212.7
[M]- 424.21565 212.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.